⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2699253 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL526564 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL636711 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL6527091 | 0.75 | OPRK1 (0.35) | — | |
| SCHEMBL22454606 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL20274455 | 0.73 | — | — | |
| SCHEMBL213436 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL6943640 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL3655351 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL3060057 | 0.70 | KDM4E (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4482743-A | (((DIALKYLAMINO)ALKYL)AMINO)ALKANONITRILE, BIS (( DIALKYLAMINO)ALKL)AMINE, ALKYLENE OXIDE | TEXACO INC. (US) | 1984-11-13 | — | — | US | claimed |